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(Q105303647)
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English
7-Bromo-6,6,9a-trimethyl-4-prop-1-en-2-yl-4,5,5a,9-tetrahydro-1,3-benzodioxepin-9-ol
group of stereoisomers with the chemical formula C₁₅H₂₃BrO₃
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Statements
instance of
group of stereoisomers
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subclass of
cyclofarnesoid
1 reference
inferred from
cyclofarnesoid
mass
330.08305669599997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₃BrO₃
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canonical SMILES
BrC1=CC(O)C2(OCOC(C(=C)C)CC2C1(C)C)C
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Identifiers
InChI
InChI=1S/C15H23BrO3/c1-9(2)10-6-11-14(3,4)12(16)7-13(17)15(11,5)19-8-18-10/h7,10-11,13,17H,1,6,8H2,2-5H3
0 references
InChIKey
WEXKOQISSZMUMG-UHFFFAOYSA-N
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PubChem CID
162961075
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WEXKOQISSZMUMG-UHFFFAOYSA-N
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